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Workshop
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Electron-Derived Molecular Representation Learning for Real-World Molecular Physics
Gyoung S. Na · Chanyoung Park
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Poster
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Tue 15:15
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TensorNet: Cartesian Tensor Representations for Efficient Learning of Molecular Potentials
Guillem Simeon · Gianni De Fabritiis
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Workshop
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Accelerating Black-Box Molecular Property Optimization by Adaptively Learning Sparse Subspaces
Farshud Sorourifar · Thomas Banker · Joel Paulson
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Workshop
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Accelerating Inference in Molecular Diffusion Models with Latent Representations of Protein Structure
Ian Dunn · David Koes
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Poster
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Thu 8:45
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Learning Invariant Molecular Representation in Latent Discrete Space
Xiang Zhuang · Qiang Zhang · Keyan Ding · Yatao Bian · Xiao Wang · Jingsong Lv · Hongyang Chen · Huajun Chen
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Workshop
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Generalist Equivariant Transformer Towards 3D Molecular Interaction Learning
Xiangzhe Kong · Wenbing Huang · Yang Liu
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Workshop
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Accelerating Inference in Molecular Diffusion Models with Latent Representations of Protein Structure
Ian Dunn · David Koes
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Workshop
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Fri 8:50
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Accelerated Sampling of Rare Events using a Neural Network Bias Potential
Xinru Hua · Rasool Ahmad · Jose Blanchet · Wei Cai
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Workshop
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CURATOR: Autonomous Batch Active-Learning Workflow for Catalysts
Xin Yang · Renata Sechi · Martin Petersen · Arghya Bhowmik · Heine A. Hansen
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Workshop
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SALSA: Semantically-Aware Latent Space Autoencoder
Kathryn E. Kirchoff · Travis Maxfield · Alexander Tropsha · Shawn Gomez
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Workshop
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Mapping the intermolecular interaction universe through self-supervised learning on molecular crystals
Ada Fang · ZAIXI ZHANG · Marinka Zitnik
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Expo Workshop
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Sun 14:00
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MARBLE 2: The Second workshop on Machine Learning and Artificial Intelligence for Biologics Engineering
Benjamin Porebski · Dino Oglic
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